4-ethyl-7-hydroxy-3-methylchromen-2-one

C12H12O3 — CID 13309299

IUPAC4-ethyl-7-hydroxy-3-methylchromen-2-one
SMILESCCc1c(C)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C12H12O3/c1-3-9-7(2)12(14)15-11-6-8(13)4-5-10(9)11/h4-6,13H,3H2,1-2H3
InChIKeyPAHACJPLXMKUPV-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.37
Rot. Bonds1

About 4-ethyl-7-hydroxy-3-methylchromen-2-one

4-ethyl-7-hydroxy-3-methylchromen-2-one (PubChem CID 13309299) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-ethyl-7-hydroxy-3-methylchromen-2-one.

Molecular Properties

Compound Name4-ethyl-7-hydroxy-3-methylchromen-2-one
PubChem CID13309299
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name4-ethyl-7-hydroxy-3-methylchromen-2-one
SMILESCCc1c(C)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C12H12O3/c1-3-9-7(2)12(14)15-11-6-8(13)4-5-10(9)11/h4-6,13H,3H2,1-2H3
InChIKeyPAHACJPLXMKUPV-UHFFFAOYSA-N
XLogP2.37
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
7-hydroxy-3,4-bis(hydroxymethyl)chromen-2-one
CID 58676736
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
3-(2-ethylbut-1-enyl)-7-hydroxy-4-methylchromen-2-one
CID 170746218
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024
5-(7-hydroxy-4-methyl-2-oxochromen-3-yl)pentanoic acid
CID 174692829
7-hydroxy-3-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-methylchromen-2-one
CID 71664587
7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one
CID 18721849
CID 88930307
CID 88930307
7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one
CID 89042295
2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetic acid
CID 5417130

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-hydroxy-3-methylchromen-2-one?
The IUPAC name of 4-ethyl-7-hydroxy-3-methylchromen-2-one (CID 13309299) is 4-ethyl-7-hydroxy-3-methylchromen-2-one.
What is the SMILES notation for 4-ethyl-7-hydroxy-3-methylchromen-2-one?
The canonical SMILES for 4-ethyl-7-hydroxy-3-methylchromen-2-one is CCc1c(C)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 4-ethyl-7-hydroxy-3-methylchromen-2-one?
The InChIKey is PAHACJPLXMKUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-9-7(2)12(14)15-11-6-8(13)4-5-10(9)11/h4-6,13H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-hydroxy-3-methylchromen-2-one?
4-ethyl-7-hydroxy-3-methylchromen-2-one has a molecular weight of 204.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-hydroxy-3-methylchromen-2-one is sourced from PubChem (CID 13309299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).